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Frequently Asked Questions

 
  1. ChemSketch FAQ page
  2. "Smartness" of algorithms
  3. Database software
  4. Limitations of the algorithms
  5. Drawing and modelling
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  1. Problems with ACD/Labs software
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  5. ACD/ChromManager - Waters Millennium/Empower Integration

Drawing & Modelling

 
Q: It is possible to get ChemSketch to show the aromaticity for cyclopentadienyl anion (Cp), pentamethylcyclopentadienyl anion (Cp*), indene, etc.?
A: To show the aromaticity for the cyclopentadienyl anion Cp(-):
1. Select the cyclopentadiene ring from the table of radicals.
2. Apply the Decrease charge button [-] to the CH2 carbon.
3. Select the now CH(1-) carbon and double click to bring up the properties dialog box.
4. Choose the Atom tab and click on the "C" option under the diagram and then deselect the "Show" option.
5. Apply this change and close the properties menu.
6. Select "Show Aromaticity" from the Tools Menu. The structure should now show the Cp ring as an aromatic ring with a "-" in the center of the ring.
     
cyclopentadienyl anion     

It is now a matter of manipulating the structure if you want to change its orientation to suitably represent a metallocene structure such as Cp2ZrCl2:
     
Q: I was pleased to read that ChemSketch 5.0 saves structures in GIF format, but I wish that your 3D viewer program, ACD/3D Viewer 5.0, would also save in GIF format. The 3D images are so nice that I would like to put them on my web site!
A: Don't despair, you *can* save the 3D images in GIF format using our latest ChemSketch/Show3D software. Here's what you do:
1. start up the ACD/3D Viewer and click on the ChemSketch button at the bottom;
2. draw or read in your molecule in ChemSketch, and click on the 3D Optimization button;
3. click on Copy to 3D at the bottom of the window;
4. in the 3D viewer, select the display option(s) desired;
5. select Copy from the Edit menu. This will place the 3D image into the Windows Clipboard so that it can be pasted into many things such as MS Word or Paint programs;
6. click on the ChemSketch button at the bottom;
7. select Draw mode (top left-hand corner);
8. select Paste from the Edit menu. This will place the 3D image into the ChemSketch Window.
9. Lastly, select Export from the File menu and save the file in GIF format.
Q: Does ACD/Labs make its ChemSketch format publically available?
A: Yes, we do. Please feel free to incorporate "SK2" as an input or output format for your own program. Download the format description from the Free Stuff page.
 

Further questions?

Do you have a question that has not been covered on this page or on our web site? If you have a question regarding any aspect of ACD/Labs software, please e-mail us and we will do our best to answer it.
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This page was last updated 20 November 2006
 

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